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Compile Data Set for Download or QSAR

Found 153 hits Enz. Inhib. hit(s) with Target = '3C-like proteinase (3CL-PRO)' AND taxid = 227859   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59242
PNG
(Benzotriazole ester, 8)
Show SMILES O=C(On1nnc2ccccc12)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H
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Article
PubMed
7.5n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59240
PNG
(Benzotriazole ester, 6)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C17H18N4O2/c1-3-20(4-2)14-11-9-13(10-12-14)17(22)23-21-16-8-6-5-7-15(16)18-19-21/h5-12H,3-4H2,1-2H3
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PubMed
11.1n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59239
PNG
(Benzotriazole ester, 5)
Show SMILES CNc1ccc(cc1)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C14H12N4O2/c1-15-11-8-6-10(7-9-11)14(19)20-18-13-5-3-2-4-12(13)16-17-18/h2-9,15H,1H3
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PubMed
12.1n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59243
PNG
(Benzotriazole ester, 9)
Show SMILES O=C(On1nnc2ccccc12)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H10N4O2/c20-15(13-9-10-5-1-2-6-11(10)16-13)21-19-14-8-4-3-7-12(14)17-18-19/h1-9,16H
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12.3n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59244
PNG
(Benzotriazole ester, 10)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C15H9FN4O2/c16-10-5-6-11-9(7-10)8-13(17-11)15(21)22-20-14-4-2-1-3-12(14)18-19-20/h1-8,17H
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13.8n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59238
PNG
(Benzotriazole ester, 4)
Show SMILES CN(C)c1ccc(cc1)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C15H14N4O2/c1-18(2)12-9-7-11(8-10-12)15(20)21-19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3
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17.4n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59237
PNG
(Benzotriazole ester, 3)
Show SMILES Nc1ccccc1C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C13H10N4O2/c14-10-6-2-1-5-9(10)13(18)19-17-12-8-4-3-7-11(12)15-16-17/h1-8H,14H2
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19.5n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59241
PNG
(Benzotriazole ester, 7)
Show SMILES O=C(On1nnc2ccccc12)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C14H9N5O2/c20-14(9-5-6-10-12(7-9)16-8-15-10)21-19-13-4-2-1-3-11(13)17-18-19/h1-8H,(H,15,16)
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22.9n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11234
PNG
((2S)-N-(2-chloro-4-nitrophenyl)-2-{[4-(dimethylami...)
Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C24H23ClN4O4/c1-28(2)18-10-8-17(9-11-18)23(30)27-22(14-16-6-4-3-5-7-16)24(31)26-21-13-12-19(29(32)33)15-20(21)25/h3-13,15,22H,14H2,1-2H3,(H,26,31)(H,27,30)/t22-/m0/s1
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30 -42.9 60n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM92520
PNG
(TG-0204998)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(C)=O
Show InChI InChI=1S/C32H47N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,13,20,23,25-26H,12,14-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,25-,26-/m0/s1
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38 -42.4n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11233
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24-,25-,26-,27-/m0/s1
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53 -41.5n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11233
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24-,25-,26-,27-/m0/s1
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54 -41.5n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11232
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C
Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m0/s1
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58 -41.3n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11232
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C
Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m0/s1
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58 -41.3n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM92521
PNG
(TG-0205486)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(=O)C1CC1
Show InChI InChI=1S/C34H50N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,14,21-22,24-25,27,29H,12-13,15-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22?,25-,27-,29-/m0/s1
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99 -40.0n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11261
PNG
(dipeptidomimetic unsaturated ester 18c | ethyl (2E...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C33H37N3O4/c1-4-40-32(38)22-18-28(23-26-11-7-5-8-12-26)34-33(39)30(24-27-13-9-6-10-14-27)35-31(37)21-17-25-15-19-29(20-16-25)36(2)3/h5-22,28,30H,4,23-24H2,1-3H3,(H,34,39)(H,35,37)/b21-17+,22-18+/t28-,30+/m1/s1
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520 -35.9 1.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11231
PNG
(N-[(benzyloxy)carbonyl]-L-valyl-N1-((1S,2E)-4-etho...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C30H44N4O7/c1-6-40-25(35)13-12-23(17-22-14-15-31-27(22)36)32-28(37)24(16-19(2)3)33-29(38)26(20(4)5)34-30(39)41-18-21-10-8-7-9-11-21/h7-13,19-20,22-24,26H,6,14-18H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/b13-12+/t22-,23+,24-,26-/m0/s1
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660 -35.3n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59246
PNG
(Benzotriazole ester, 14)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C18H20N4O/c1-3-21(4-2)15-11-9-14(10-12-15)18(23)13-22-17-8-6-5-7-16(17)19-20-22/h5-12H,3-4,13H2,1-2H3
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1.00E+3n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11240
PNG
(Anilide Inhibitor 4k | N-[(benzyloxy)carbonyl]-L-v...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C41H45ClN6O9/c1-25(2)35(47-41(54)57-24-29-17-11-6-12-18-29)39(52)44-34(22-28-15-9-5-10-16-28)38(51)46-36(26(3)49)40(53)45-33(21-27-13-7-4-8-14-27)37(50)43-32-20-19-30(48(55)56)23-31(32)42/h4-20,23,25-26,33-36,49H,21-22,24H2,1-3H3,(H,43,50)(H,44,52)(H,45,53)(H,46,51)(H,47,54)/t26?,33-,34-,35-,36-/m0/s1
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1.51E+3 -33.2 6.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11239
PNG
((2S)-N-[(1S)-1-{[(1S,2S)-1-{[(1S)-1-[(2-chloro-4-n...)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C38H42ClN7O9/c1-21(2)32(43-36(50)31-17-22(3)55-45-31)37(51)41-30(19-25-13-9-6-10-14-25)35(49)44-33(23(4)47)38(52)42-29(18-24-11-7-5-8-12-24)34(48)40-28-16-15-26(46(53)54)20-27(28)39/h5-17,20-21,23,29-30,32-33,47H,18-19H2,1-4H3,(H,40,48)(H,41,51)(H,42,52)(H,43,50)(H,44,49)/t23?,29-,30-,32-,33-/m0/s1
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1.61E+3 -33.1 5.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11230
PNG
(AG7088 analogue 2d | CHEMBL277716 | N-[(benzyloxy)...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C33H42N4O7/c1-4-43-28(38)16-15-26(20-25-17-18-34-30(25)39)35-31(40)27(19-23-11-7-5-8-12-23)36-32(41)29(22(2)3)37-33(42)44-21-24-13-9-6-10-14-24/h5-16,22,25-27,29H,4,17-21H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b16-15+/t25-,26+,27-,29-/m0/s1
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2.26E+3 -32.2n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


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More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11236
PNG
((2S)-N-[(1S)-1-[(2-chloro-4-nitrophenyl)carbamoyl]...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C31H36ClN5O6S/c1-18(2)15-24(35-31(41)27(19(3)4)36-30(40)26-11-8-14-44-26)28(38)34-25(16-20-9-6-5-7-10-20)29(39)33-23-13-12-21(37(42)43)17-22(23)32/h5-14,17-19,24-25,27H,15-16H2,1-4H3,(H,33,39)(H,34,38)(H,35,41)(H,36,40)/t24-,25-,27-/m0/s1
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2.29E+3 -32.2 5.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11260
PNG
(dipeptidomimetic unsaturated ester 18b | ethyl (2E...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)N(=O)=O
Show InChI InChI=1S/C31H31N3O6/c1-2-40-30(36)20-16-26(21-24-9-5-3-6-10-24)32-31(37)28(22-25-11-7-4-8-12-25)33-29(35)19-15-23-13-17-27(18-14-23)34(38)39/h3-20,26,28H,2,21-22H2,1H3,(H,32,37)(H,33,35)/b19-15+,20-16+/t26-,28+/m1/s1
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2.48E+3 -32.0 5.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11237
PNG
((2S)-N-[(1S)-1-{[(1S)-1-[(2-chloro-4-nitrophenyl)c...)
Show SMILES CC(C)C(NC(=O)c1cc(C)[o+][n-]1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C34H35ClN6O7/c1-20(2)30(39-33(44)29-16-21(3)48-40-29)34(45)38-28(18-23-12-8-5-9-13-23)32(43)37-27(17-22-10-6-4-7-11-22)31(42)36-26-15-14-24(41(46)47)19-25(26)35/h4-16,19-20,27-28,30H,17-18H2,1-3H3,(H,36,42)(H,37,43)(H,38,45)(H,39,44)
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2.90E+3 -31.6 7.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11263
PNG
(dipeptidomimetic unsaturated ester 18e | ethyl (2E...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C32H32N2O6/c1-2-38-31(36)18-15-26(19-23-9-5-3-6-10-23)33-32(37)27(20-24-11-7-4-8-12-24)34-30(35)17-14-25-13-16-28-29(21-25)40-22-39-28/h3-18,21,26-27H,2,19-20,22H2,1H3,(H,33,37)(H,34,35)/b17-14+,18-15+/t26-,27+/m1/s1
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3.05E+3 -31.5 7.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11241
PNG
((2S)-N,N'-bis[(1S)-1-[(2-chloro-4-nitrophenyl)carb...)
Show SMILES O[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C34H30Cl2N6O9/c35-24-17-22(41(48)49)11-13-26(24)38-32(45)28(15-20-7-3-1-4-8-20)37-31(44)19-30(43)34(47)40-29(16-21-9-5-2-6-10-21)33(46)39-27-14-12-23(42(50)51)18-25(27)36/h1-14,17-18,28-30,43H,15-16,19H2,(H,37,44)(H,38,45)(H,39,46)(H,40,47)/t28-,29-,30-/m0/s1
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3.10E+3 -31.4 4.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11238
PNG
((2S)-N-[(1S)-1-{[(1S)-1-[(2-chloro-4-nitrophenyl)c...)
Show SMILES CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C34H34ClN5O6S/c1-21(2)30(39-33(43)29-14-9-17-47-29)34(44)38-28(19-23-12-7-4-8-13-23)32(42)37-27(18-22-10-5-3-6-11-22)31(41)36-26-16-15-24(40(45)46)20-25(26)35/h3-17,20-21,27-28,30H,18-19H2,1-2H3,(H,36,41)(H,37,42)(H,38,44)(H,39,43)/t27-,28-,30-/m0/s1
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4.30E+3 -30.6 5.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59249
PNG
(Benzotriazole ester, 17)
Show SMILES CNc1ccc(cc1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C15H14N4O/c1-16-12-8-6-11(7-9-12)15(20)10-19-14-5-3-2-4-13(14)17-18-19/h2-9,16H,10H2,1H3
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4.50E+3n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11259
PNG
(dipeptidomimetic unsaturated ester 18a | ethyl (2E...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C37H36N2O4/c1-2-43-36(41)25-23-33(26-29-12-6-3-7-13-29)38-37(42)34(27-30-14-8-4-9-15-30)39-35(40)24-20-28-18-21-32(22-19-28)31-16-10-5-11-17-31/h3-25,33-34H,2,26-27H2,1H3,(H,38,42)(H,39,40)/b24-20+,25-23+/t33-,34+/m1/s1
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6.44E+3 -29.6 1.00E+4n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59250
PNG
(Benzotriazole ester, 18)
Show SMILES CN(C)c1ccc(cc1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C16H16N4O/c1-19(2)13-9-7-12(8-10-13)16(21)11-20-15-6-4-3-5-14(15)17-18-20/h3-10H,11H2,1-2H3
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6.70E+3n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11262
PNG
(dipeptidomimetic unsaturated ester 18d | ethyl (2E...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(OC)cc1OC
Show InChI InChI=1S/C33H36N2O6/c1-4-41-32(37)20-17-27(21-24-11-7-5-8-12-24)34-33(38)29(22-25-13-9-6-10-14-25)35-31(36)19-16-26-15-18-28(39-2)23-30(26)40-3/h5-20,23,27,29H,4,21-22H2,1-3H3,(H,34,38)(H,35,36)/b19-16+,20-17+/t27-,29+/m1/s1
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9.05E+3 -28.8 1.00E+4n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM78957
PNG
(MLS001163269 | N-[(Z)-1-[3-(dimethylamino)propylca...)
Show SMILES CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C26H28N4O5/c1-18-8-10-19(11-9-18)25(31)28-23(26(32)27-14-5-15-29(2)3)17-22-12-13-24(35-22)20-6-4-7-21(16-20)30(33)34/h4,6-13,16-17H,5,14-15H2,1-3H3,(H,27,32)(H,28,31)/b23-17-
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PubMed
9.11E+3n/an/an/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM53105
PNG
(CHEMBL1315054 | MLS001164598 | N-[(Z)-1-[3-(dimeth...)
Show SMILES CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C26H28N4O5/c1-18-9-11-19(12-10-18)25(31)28-22(26(32)27-15-6-16-29(2)3)17-20-13-14-24(35-20)21-7-4-5-8-23(21)30(33)34/h4-5,7-14,17H,6,15-16H2,1-3H3,(H,27,32)(H,28,31)/b22-17-
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9.93E+3n/an/an/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11229
PNG
(AG7088 analogue 2a | CHEMBL20636 | N-[(5-methyliso...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C
Show InChI InChI=1S/C30H38FN5O7/c1-5-42-25(37)11-10-22(16-20-12-13-32-27(20)38)33-28(39)23(15-19-6-8-21(31)9-7-19)34-30(41)26(17(2)3)35-29(40)24-14-18(4)43-36-24/h6-11,14,17,20,22-23,26H,5,12-13,15-16H2,1-4H3,(H,32,38)(H,33,39)(H,34,41)(H,35,40)/b11-10+/t20-,22+,23-,26-/m0/s1
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>1.00E+4>-28.5n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59252
PNG
(Benzotriazole ester, 20)
Show SMILES CN(C)c1ccc(cc1)C(O)Cn1nnc2ccccc12
Show InChI InChI=1S/C16H18N4O/c1-19(2)13-9-7-12(8-10-13)16(21)11-20-15-6-4-3-5-14(15)17-18-20/h3-10,16,21H,11H2,1-2H3
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>5.00E+4n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM59251
PNG
(Benzotriazole ester, 19)
Show SMILES CNc1ccc(cc1)C(O)Cn1nnc2ccccc12
Show InChI InChI=1S/C15H16N4O/c1-16-12-8-6-11(7-9-12)15(20)10-19-14-5-3-2-4-13(14)17-18-19/h2-9,15-16,20H,10H2,1H3
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>5.00E+4n/an/an/an/an/an/a7.5n/a



Academia Sinica



Assay Description
Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11292
PNG
(1,5-dichloro-2-{[2,6-dinitro-4-(trifluoromethyl)be...)
Show SMILES Cc1cc(c(Cl)cc1Cl)S(=O)(=O)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C14H7Cl2F3N2O6S/c1-6-2-12(9(16)5-8(6)15)28(26,27)13-10(20(22)23)3-7(14(17,18)19)4-11(13)21(24)25/h2-5H,1H3
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n/an/a 300n/an/an/an/a7.025



National Defense Medical Center



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11293
PNG
(4-({4-[(2,3,3-trichloroprop-2-enoyl)oxy]benzene}su...)
Show SMILES ClC(Cl)=C(Cl)C(=O)Oc1ccc(cc1)S(=O)(=O)c1ccc(OC(=O)C(Cl)=C(Cl)Cl)cc1
Show InChI InChI=1S/C18H8Cl6O6S/c19-13(15(21)22)17(25)29-9-1-5-11(6-2-9)31(27,28)12-7-3-10(4-8-12)30-18(26)14(20)16(23)24/h1-8H
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n/an/a 900n/an/an/an/a7.025



National Defense Medical Center



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297254
PNG
(3-[2-(3,4-Dihydroxy-phenyl)-3,5-dihydroxy-4-oxo-4H...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3cccc(c3)C#N)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C23H15NO7/c24-10-12-2-1-3-13(6-12)11-30-15-8-18(27)20-19(9-15)31-23(22(29)21(20)28)14-4-5-16(25)17(26)7-14/h1-9,25-27,29H,11H2
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n/an/a 2.70E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11304
PNG
(Compound 2 analog 15 | MurB inhibitor (compound 16...)
Show SMILES FC(F)(F)c1nnc(SC(=O)c2ccc(o2)C#Cc2ccccc2)[nH]1
Show InChI InChI=1S/C16H8F3N3O2S/c17-16(18,19)14-20-15(22-21-14)25-13(23)12-9-8-11(24-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,20,21,22)
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n/an/a 3.00E+3n/an/an/an/a7.025



National Defense Medical Center



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11264
PNG
(N-(3,5-dichlorophenyl)-2-{[4-(2-phenyl-1,3-thiazol...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CSc2nccc(n2)-c2csc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C21H14Cl2N4OS2/c22-14-8-15(23)10-16(9-14)25-19(28)12-30-21-24-7-6-17(27-21)18-11-29-20(26-18)13-4-2-1-3-5-13/h1-11H,12H2,(H,25,28)
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n/an/a 3.00E+3n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297252
PNG
(7-(4-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3ccc(Cl)cc3)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C22H15ClO7/c23-13-4-1-11(2-5-13)10-29-14-8-17(26)19-18(9-14)30-22(21(28)20(19)27)12-3-6-15(24)16(25)7-12/h1-9,24-26,28H,10H2
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n/an/a 4.10E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11305
PNG
(5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-N...)
Show SMILES Cc1[n-][o+]c(NC(=O)c2ccc(s2)-c2cc(nn2C)C(F)(F)F)c1[N+]([O-])=O
Show InChI InChI=1S/C14H10F3N5O4S/c1-6-11(22(24)25)13(26-20-6)18-12(23)9-4-3-8(27-9)7-5-10(14(15,16)17)19-21(7)2/h3-5H,1-2H3,(H,18,23)
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n/an/a 5.00E+3n/an/an/an/a7.025



National Defense Medical Center



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297253
PNG
(7-(3-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3cccc(Cl)c3)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C22H15ClO7/c23-13-3-1-2-11(6-13)10-29-14-8-17(26)19-18(9-14)30-22(21(28)20(19)27)12-4-5-15(24)16(25)7-12/h1-9,24-26,28H,10H2
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n/an/a 5.20E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50137863
PNG
(4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11294
PNG
(5-[(4-chlorobenzene)sulfonyl]pyrimidine-2,4-diamin...)
Show SMILES Nc1ncc(c(N)n1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H9ClN4O2S/c11-6-1-3-7(4-2-6)18(16,17)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)
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n/an/a 6.00E+3n/an/an/an/a7.025



National Defense Medical Center



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 8.10E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297257
PNG
(3-(2-Benzo[1,3]dioxol-5-yl-3,5-dihydroxy-4-oxo-4H-...)
Show SMILES Oc1cc(OCc2cccc(c2)C#N)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H15NO7/c25-10-13-2-1-3-14(6-13)11-29-16-8-17(26)21-20(9-16)32-24(23(28)22(21)27)15-4-5-18-19(7-15)31-12-30-18/h1-9,26,28H,11-12H2
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n/an/a 8.10E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay


Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297255
PNG
(2-Benzo[1,3]dioxol-5-yl-7-(4-chloro-benzyloxy)-3,5...)
Show SMILES Oc1cc(OCc2ccc(Cl)cc2)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H15ClO7/c24-14-4-1-12(2-5-14)10-28-15-8-16(25)20-19(9-15)31-23(22(27)21(20)26)13-3-6-17-18(7-13)30-11-29-17/h1-9,25,27H,10-11H2
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n/an/a 9.30E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay


Citation and Details
More data for this
Ligand-Target Pair
SARS Coronavirus 3C-like Protease


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11265
PNG
(N-(4-chlorophenyl)-2-[(4-{5-[1-methyl-5-(trifluoro...)
Show SMILES Cn1nc(cc1C(F)(F)F)-c1ccc(s1)-c1ccnc(SCC(=O)Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C21H15ClF3N5OS2/c1-30-18(21(23,24)25)10-15(29-30)17-7-6-16(33-17)14-8-9-26-20(28-14)32-11-19(31)27-13-4-2-12(22)3-5-13/h2-10H,11H2,1H3,(H,27,31)
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n/an/a 1.00E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Citation and Details
More data for this
Ligand-Target Pair
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